Chemical Properties of Phthalic acid, butyl ester, ester with butyl glycolate (CAS 85-70-1)

InChI

InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3

InChI Key

GOJCZVPJCKEBQV-UHFFFAOYSA-N

Formula

C18H24O6

SMILES

CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC

Molecular Weight¹

336.38

CAS

85-70-1

Other Names

• Butyl carbobutoxymethyl phthalate
• Butyl glycolyl butyl phthalate
• Butyl phthalate butyl glycolate
• Butyl phthalyl butyl glycolate
• Dibutyl o-carboxybenzoyloxyacetate
• Santicizer B 16
• 1,2-Benzenedicarboxylic acid, 2-butoxy-2-oxoethyl, butyl ester
• Dibutyl O-(o-carboxybenzoyl) glycolate
• Glycolic acid, butyl ester, butyl phthalate
• Glycolic acid, phthalate, dibutyl ester
• Phthalic acid, butoxycarbonylmethyl butyl ester
• Phthalic acid, butyl ester, butyl glycolate
• Butoxycarbonylmethyl butyl phthalate
• Reomol 4PG
• Morflex 190
• n-Butyl phthalyl-n-butyl glycolate
• 1,2-Benzenedicarboxylic acid, 1-(2-butoxy-2-oxoethyl) 2-butyl ester
• 2-Butoxy-2-oxoethyl butyl phthalate
• 1-(2-Butoxy-2-oxoethyl) 2-butyl phthalate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[789.55; 854.81]	J/mol×K	[817.76; 1018.03]
Cp,gas	789.55	J/mol×K	817.76	Joback Calculated Property
Cp,gas	803.49	J/mol×K	851.14	Joback Calculated Property
Cp,gas	816.19	J/mol×K	884.52	Joback Calculated Property
Cp,gas	827.66	J/mol×K	917.89	Joback Calculated Property
Cp,gas	837.92	J/mol×K	951.27	Joback Calculated Property
Cp,gas	846.97	J/mol×K	984.65	Joback Calculated Property
Cp,gas	854.81	J/mol×K	1018.03	Joback Calculated Property
η	[0.0000358; 0.0007371]	Pa×s	[458.55; 817.76]
η	0.0007371	Pa×s	458.55	Joback Calculated Property
η	0.0003329	Pa×s	518.42	Joback Calculated Property
η	0.0001772	Pa×s	578.29	Joback Calculated Property
η	0.0001062	Pa×s	638.15	Joback Calculated Property
η	0.0000695	Pa×s	698.02	Joback Calculated Property
η	0.0000486	Pa×s	757.89	Joback Calculated Property
η	0.0000358	Pa×s	817.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, butyl ester, ester with butyl glycolate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.